1-(prop-2-yn-1-yl)piperidin-3-amine

• ChemBase ID: 278956
• Molecular Formular: C8H14N2
• Molecular Mass: 138.21016
• Monoisotopic Mass: 138.11569846
• SMILES: C(#C)CN1CC(N)CCC1
• Canonical SMILES: C#CCN1CCCC(C1)N
• InChI: InChI=1S/C8H14N2/c1-2-5-10-6-3-4-8(9)7-10/h1,8H,3-7,9H2
• InChIKey: LPAIJTCPOYPLDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-yn-1-yl)piperidin-3-amine
• IUPAC Traditional name: 1-(prop-2-yn-1-yl)piperidin-3-amine
• Synonyms: 1-(prop-2-yn-1-yl)piperidin-3-amine

Database IDs

• MDL Number: MFCD14617807
• PubChem SID: 164334866
• PubChem CID: 54595056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8852024
• LogD (pH = 7.4): -2.1498463
• Log P: 0.08683324
• Molar Refractivity: 42.7293 cm^3
• Polarizability: 16.705782 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.723

Product Information

• Purity: 95%